[4-(5-bromo-4-tert-butyl-1,3-thiazol-2-yl)morpholin-2-yl]methanol

C12H19BrN2O2S — CID 166377029

IUPAC[4-(5-bromo-4-tert-butyl-1,3-thiazol-2-yl)morpholin-2-yl]methanol
SMILESCC(C)(C)c1nc(N2CCOC(CO)C2)sc1Br
InChIInChI=1S/C12H19BrN2O2S/c1-12(2,3)9-10(13)18-11(14-9)15-4-5-17-8(6-15)7-16/h8,16H,4-7H2,1-3H3
InChIKeyCVVPMBOJHAKKEF-UHFFFAOYSA-N
MW335.27 g/mol
LogP2.40
Rot. Bonds2

About [4-(5-bromo-4-tert-butyl-1,3-thiazol-2-yl)morpholin-2-yl]methanol

[4-(5-bromo-4-tert-butyl-1,3-thiazol-2-yl)morpholin-2-yl]methanol (PubChem CID 166377029) has the molecular formula C12H19BrN2O2S and a molecular weight of 335.27 g/mol. Its IUPAC name is [4-(5-bromo-4-tert-butyl-1,3-thiazol-2-yl)morpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-(5-bromo-4-tert-butyl-1,3-thiazol-2-yl)morpholin-2-yl]methanol
PubChem CID166377029
Molecular FormulaC12H19BrN2O2S
Molecular Weight335.27 g/mol
Exact Mass334.04
IUPAC Name[4-(5-bromo-4-tert-butyl-1,3-thiazol-2-yl)morpholin-2-yl]methanol
SMILESCC(C)(C)c1nc(N2CCOC(CO)C2)sc1Br
InChIInChI=1S/C12H19BrN2O2S/c1-12(2,3)9-10(13)18-11(14-9)15-4-5-17-8(6-15)7-16/h8,16H,4-7H2,1-3H3
InChIKeyCVVPMBOJHAKKEF-UHFFFAOYSA-N
XLogP2.40
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.27
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-(5-bromo-4-tert-butyl-1,3-thiazol-2-yl)morpholin-2-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-(5-bromo-4-tert-butyl-1,3-thiazol-2-yl)morpholin-2-yl]methanol?
The IUPAC name of [4-(5-bromo-4-tert-butyl-1,3-thiazol-2-yl)morpholin-2-yl]methanol (CID 166377029) is [4-(5-bromo-4-tert-butyl-1,3-thiazol-2-yl)morpholin-2-yl]methanol.
What is the SMILES notation for [4-(5-bromo-4-tert-butyl-1,3-thiazol-2-yl)morpholin-2-yl]methanol?
The canonical SMILES for [4-(5-bromo-4-tert-butyl-1,3-thiazol-2-yl)morpholin-2-yl]methanol is CC(C)(C)c1nc(N2CCOC(CO)C2)sc1Br.
What is the InChIKey of [4-(5-bromo-4-tert-butyl-1,3-thiazol-2-yl)morpholin-2-yl]methanol?
The InChIKey is CVVPMBOJHAKKEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2O2S/c1-12(2,3)9-10(13)18-11(14-9)15-4-5-17-8(6-15)7-16/h8,16H,4-7H2,1-3H3.
What are the key properties of [4-(5-bromo-4-tert-butyl-1,3-thiazol-2-yl)morpholin-2-yl]methanol?
[4-(5-bromo-4-tert-butyl-1,3-thiazol-2-yl)morpholin-2-yl]methanol has a molecular weight of 335.27 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-bromo-4-tert-butyl-1,3-thiazol-2-yl)morpholin-2-yl]methanol is sourced from PubChem (CID 166377029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).